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Data in Brief
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February 10, 2022
A new hourly dataset for photovoltaic energy production for the continental USA
Weiming Hu, Guido Cervone, Andre Merzky, et al.
Journal of Chemical Information and Modeling
|
September 4, 2023
Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting
Daipayan Sarkar, Hyungro Lee, John W Vant, et al.
BMC Bioinformatics
|
December 23, 2018
High-throughput binding affinity calculations at extreme scales
Jumana Dakka, Matteo Turilli, David W Wright, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
December 12, 2012
Flexible services for the support of research
Matteo Turilli, David Wallom, Chris Williams, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
April 20, 2021
Large-Scale Molecular Dynamics Simulations of Cellular Compartments
Eric Wilson, John Vant, Jacob Layton, et al.
Scientific Reports
|
February 6, 2023
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
Austin Clyde, Xuefeng Liu, Thomas Brettin, et al.
Proceedings ... IEEE International Conference on Escience. IEEE International Conference on Escience
|
April 14, 2025
PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs
Mihael Hategan-Marandiuc, Andre Merzky, Nicholson Collier, et al.
Interface Focus
|
December 27, 2021
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
Agastya P Bhati, Shunzhou Wan, Dario Alfè, et al.
Biorxiv : the Preprint Server for Biology
|
November 25, 2020
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics
Lorenzo Casalino, Abigail Dommer, Zied Gaieb, et al.
Journal of Chemical Information and Modeling
|
November 18, 2021
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
Austin Clyde, Stephanie Galanie, Daniel W Kneller, et al.
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Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Data in Brief
|
February 10, 2022
A new hourly dataset for photovoltaic energy production for the continental USA
Weiming Hu, Guido Cervone, Andre Merzky, et al.
Journal of Chemical Information and Modeling
|
September 4, 2023
Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting
Daipayan Sarkar, Hyungro Lee, John W Vant, et al.
BMC Bioinformatics
|
December 23, 2018
High-throughput binding affinity calculations at extreme scales
Jumana Dakka, Matteo Turilli, David W Wright, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
December 12, 2012
Flexible services for the support of research
Matteo Turilli, David Wallom, Chris Williams, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
April 20, 2021
Large-Scale Molecular Dynamics Simulations of Cellular Compartments
Eric Wilson, John Vant, Jacob Layton, et al.
Scientific Reports
|
February 6, 2023
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
Austin Clyde, Xuefeng Liu, Thomas Brettin, et al.
Proceedings ... IEEE International Conference on Escience. IEEE International Conference on Escience
|
April 14, 2025
PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs
Mihael Hategan-Marandiuc, Andre Merzky, Nicholson Collier, et al.
Interface Focus
|
December 27, 2021
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
Agastya P Bhati, Shunzhou Wan, Dario Alfè, et al.
Biorxiv : the Preprint Server for Biology
|
November 25, 2020
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics
Lorenzo Casalino, Abigail Dommer, Zied Gaieb, et al.
Journal of Chemical Information and Modeling
|
November 18, 2021
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
Austin Clyde, Stephanie Galanie, Daniel W Kneller, et al.
Page
of 2